9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid

C19H16F3NO3 — CID 24993096

IUPAC9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3c(C(F)(F)F)cccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)14-2-1-3-15-17(14)13-5-4-11(18(24)25)10-16(13)23(15)12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,24,25)
InChIKeyDZBLHRGIMOMHBM-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.86
Rot. Bonds2

About 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid

9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid (PubChem CID 24993096) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid.

Molecular Properties

Compound Name9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid
PubChem CID24993096
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3c(C(F)(F)F)cccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)14-2-1-3-15-17(14)13-5-4-11(18(24)25)10-16(13)23(15)12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,24,25)
InChIKeyDZBLHRGIMOMHBM-UHFFFAOYSA-N
XLogP4.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid?
The IUPAC name of 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid (CID 24993096) is 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid.
What is the SMILES notation for 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid?
The canonical SMILES for 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid is O=C(O)c1ccc2c3c(C(F)(F)F)cccc3n(C3CCOCC3)c2c1.
What is the InChIKey of 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid?
The InChIKey is DZBLHRGIMOMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)14-2-1-3-15-17(14)13-5-4-11(18(24)25)10-16(13)23(15)12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,24,25).
What are the key properties of 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid?
9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid has a molecular weight of 363.34 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-4-yl)-5-(trifluoromethyl)carbazole-2-carboxylic acid is sourced from PubChem (CID 24993096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).